III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093157 |
Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093157 |
Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093157 |
Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093157 |
Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093156 |
Energy (hartrees) | |
---|---|
frozen core | -77.3142471 |
correlated core | -77.3235627 |
difference | -0.0093156 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070824 |
correlated core | -77.3162275 |
difference | -0.0091452 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070824 |
correlated core | -77.3162278 |
difference | -0.0091454 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070825 |
correlated core | -77.3162275 |
difference | -0.0091450 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070825 |
correlated core | -77.3162278 |
difference | -0.0091453 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070827 |
correlated core | -77.3162275 |
difference | -0.0091448 |
Energy (hartrees) | |
---|---|
frozen core | -77.3070827 |
correlated core | -77.3162278 |
difference | -0.0091451 |